GproteinDb

CHEMBL122622

Agent/drug
Bioactivity

CHEMBL122622

SMILES	N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1
InChIKey	OFHKDLYFKPBXER-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	3
Rotatable bonds	4
Molecular weight (Da)	348.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	8RLN

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A₁	AA1R	Human	Adenosine	A	pKi	8.59	8.59	8.59	ChEMBL
A₁	AA1R	Human	Adenosine	A	pKd	8.34	8.34	8.34	ChEMBL
A_2A	AA2AR	Human	Adenosine	A	pKi	7.55	7.55	7.55	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pKi	9.00	9.00	9.00	ChEMBL
A_2B	AA2BR	Human	Adenosine	A	pKd	5.51	5.51	5.51	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	6.27	6.27	6.27	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

A_2B	AA2BR	Human	Adenosine	A	pEC50	7.92	7.92	7.92	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL122622

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	8RLN

Compound is not listed as a drug.